tert-butyl-[3-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propyl]ammonium Formula: C20H36N4O2+2 MolecularWeight: 364.52544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H34N4O2/c1-20(2,3)22-10-6-9-21-19(25)16-23-11-13-24(14-12-23)17-7-5-8-18(15-17)26-4/h5,7-8,15,22H,6,9-14,16H2,1-4H3,(H,21,25)/p+2